[Beowulf] FY;) GROMACS on the Raspberry Pi

Eugen Leitl eugen at leitl.org
Fri Aug 31 07:57:22 PDT 2012


http://www.reddit.com/r/comp_chem/comments/z2rqr/gromacs_on_the_raspberry_pi/

GROMACS on the Raspberry Pi (self.comp_chem)

submitted 1 day ago by steelgargoyle

As we all know our discipline tends to involve rather a lot of waiting
around. In my downtime I decided, having heard that GROMACS can compile on
ARM CPUs, to attempt to compile it on my Model B RPi. I dug out an old
sequential Bash script I wrote which sorts the FFTW libraries out for you,
and it actually worked.

I haven't tested it yet with any simulations, because I'm actually an AMBER
user nowadays and I've forgotten how to use GROMACS so I need to brush up,
but if it works well I'm hoping to get another one to test the feasibility of
MPI GROMACS on RPis as part of a small low-power Beowulf cluster, though the
ethernet speed could limit data transfer rates.

Thought this is probably the most appropriate place to post this. Let me know
if you're interested and if you have any ideas.



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